5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine

C13H18BrN5 — CID 66295384

IUPAC5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine
SMILESCCn1cncc1-c1nc(N)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C13H18BrN5/c1-5-19-7-16-6-8(19)12-17-10(13(2,3)4)9(14)11(15)18-12/h6-7H,5H2,1-4H3,(H2,15,17,18)
InChIKeyIUOYJCSZOPKVLV-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.00
Rot. Bonds2

About 5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine

5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine (PubChem CID 66295384) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine
PubChem CID66295384
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine
SMILESCCn1cncc1-c1nc(N)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C13H18BrN5/c1-5-19-7-16-6-8(19)12-17-10(13(2,3)4)9(14)11(15)18-12/h6-7H,5H2,1-4H3,(H2,15,17,18)
InChIKeyIUOYJCSZOPKVLV-UHFFFAOYSA-N
XLogP3.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine (CID 66295384) is 5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine is CCn1cncc1-c1nc(N)c(Br)c(C(C)(C)C)n1.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine?
The InChIKey is IUOYJCSZOPKVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-5-19-7-16-6-8(19)12-17-10(13(2,3)4)9(14)11(15)18-12/h6-7H,5H2,1-4H3,(H2,15,17,18).
What are the key properties of 5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine has a molecular weight of 324.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66295384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).